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Thiobencarb (Standard)

CAT: 0804-HY-129792RSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-129792RSize:1 Each
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Description
Thiobencarb (Standard) is the analytical standard of Thiobencarb. This product is intended for research and analytical applications. Thiobencarb is an herbicide, can reduce growth, photosynthetic activity, and amount of rieske iron-sulfur protein in the diatom Thalassiosira pseudonana[1].
CAS Number
28249-77-6
UNSPSC
12352005
Target
Herbicide; Reference Standards
Type
Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/thiobencarb-standard.html
Smiles
O=C(SCC1=CC=C(Cl)C=C1)N(CC)CC
Molecular Formula
C12H16ClNOS
Molecular Weight
257.78
References & Citations
[1] Shimasaki Y, et al. Thiobencarb herbicide reduces growth, photosynthetic activity, and amount of Rieske iron-sulfur protein in the diatom Thalassiosira pseudonana. J Biochem Mol Toxicol. 2013 Sep;27 (9) :437-44.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Thiobencarb

Thiobencarb is a monothiocarbamic ester and a member of monochlorobenzenes.

CAS Number28249-77-6
PubChem CID34192
IUPAC NameS-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate
Molecular FormulaC12H16ClNOS
Molecular Weight257.78
XLogP3.4
Topological Polar Surface Area45.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity213
SMILES
CCN(CC)C(=O)SCC1=CC=C(C=C1)Cl
InChI
InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKey
QHTQREMOGMZHJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiobencarb
CAS: 28249-77-6
CID: 34192
Formula: C12H16ClNOS
MW: 257.78
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.78
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass257.0641130
Monoisotopic Mass257.0641130
Topological Polar Surface Area45.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity213
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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